CID 18367556

725683-06-7

Structural Information

Molecular Formula
C9H12BrN
SMILES
CNCCC1=CC=C(C=C1)Br
InChI
InChI=1S/C9H12BrN/c1-11-7-6-8-2-4-9(10)5-3-8/h2-5,11H,6-7H2,1H3
InChIKey
CJLDHHONSQXJTC-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

69
Patents

213.0153 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.02258 139.1
[M+Na]+ 236.00452 142.7
[M+NH4]+ 231.04912 144.9
[M+K]+ 251.97846 141.3
[M-H]- 212.00802 141.0
[M+Na-2H]- 233.98997 143.8
[M]+ 213.01475 139.0
[M]- 213.01585 139.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe